(2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate

C14H18Cl2N2O2 — CID 91805200

IUPAC(2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-2-17-6-8-18(9-7-17)14(19)20-10-11-4-3-5-12(15)13(11)16/h3-5H,2,6-10H2,1H3
InChIKeyYSKSNRRMVGMYRC-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.27
Rot. Bonds3

About (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate

(2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate (PubChem CID 91805200) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate
PubChem CID91805200
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-2-17-6-8-18(9-7-17)14(19)20-10-11-4-3-5-12(15)13(11)16/h3-5H,2,6-10H2,1H3
InChIKeyYSKSNRRMVGMYRC-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate
CID 74226982
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
ethyl 4-[3-(2,3-dichloroanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029198
(2-chlorophenyl)methyl 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 3559790
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115
ethyl 4-[(2-chlorophenyl)methyl]-4-methylpiperazin-4-ium-1-carboxylate
CID 3030267
(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
CID 174832128
[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 174508294
N-(2,3-dichlorophenyl)-4-ethylpiperazine-1-carbothioamide
CID 17262191
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
[2-(trifluoromethyl)phenyl]methyl 4-pentylpiperazine-1-carboxylate
CID 91201426

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate?
The IUPAC name of (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate (CID 91805200) is (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate.
What is the SMILES notation for (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate?
The canonical SMILES for (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate is CCN1CCN(C(=O)OCc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate?
The InChIKey is YSKSNRRMVGMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-2-17-6-8-18(9-7-17)14(19)20-10-11-4-3-5-12(15)13(11)16/h3-5H,2,6-10H2,1H3.
What are the key properties of (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate?
(2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate has a molecular weight of 317.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 91805200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).